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75965-84-3 | 1-Naphthalenecarboxaldehyde, 2,4-dimethoxy-
CAS No: 75965-84-3 Catalog No: AG005SPM MDL No:
Product Description
Catalog Number:
AG005SPM
Chemical Name:
1-Naphthalenecarboxaldehyde, 2,4-dimethoxy-
CAS Number:
75965-84-3
Molecular Formula:
C13H12O3
Molecular Weight:
216.2326
IUPAC Name:
2,4-dimethoxynaphthalene-1-carbaldehyde
InChI:
InChI=1S/C13H12O3/c1-15-12-7-13(16-2)11(8-14)9-5-3-4-6-10(9)12/h3-8H,1-2H3
InChI Key:
NNQTVZVNHYJOKQ-UHFFFAOYSA-N
SMILES:
COc1cc(OC)c2c(c1C=O)cccc2
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.079g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.236g/mol
Monoisotopic Mass:
216.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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